Geometry & MOs

Info

ID:	165900
PubChem CID:	74610857
Reduced:	FSO2N3C18H24 (1)
Stoich.:	ABC2D3E18F24 (1)
Weight, g/mol:	417.152241
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	6.3
IP(EA), eV:	-8.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CC2CC(=O)NC(N2)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations